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18 10 26 16 45

B2PLYP=FULL/6-31G for rCBr

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 0.220 are in the 0.220 bin. Differences less than -0.020 are in the -0.020 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart
-0.020 0.000 0.020 0.040 0.060 0.080 0.100 0.120 0.140 0.160 0.180 0.200 0.220
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CF3Br Bromotrifluoromethane0.038
Most positive difference CBr Carbon monobromide0.126

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CF3Br Bromotrifluoromethane 1.923 0.038
BrCN Cyanogen bromide 1.789 0.043
HCCBr bromoacetylene 1.792 0.047
CBr4 Carbon tetrabromide 1.942 0.047
CHFClBr fluorochlorobromomethane 1.928 0.051
CH2BrCl Methane, bromochloro- 1.928 0.058
CH2Br2 dibromomethane 1.925 0.062
CH3Br methyl bromide 1.934 0.075
C2H5Br Ethyl bromide 1.950 0.076
CH2BrF Methane, bromofluoro- 1.915 0.087
CBr Carbon monobromide 1.821 0.126